Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-4.2919 4.1987 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2590 3.6776 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9147 4.2517 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9840 3.3497 -0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6620 2.1437 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 1.9787 1.2607 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3143 1.1986 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4929 1.0810 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5120 0.1417 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3051 0.4841 -0.8517 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6170 -1.1336 0.5727 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5765 -2.0403 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9762 -1.5868 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7843 -1.4314 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3135 -0.0937 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9291 -0.8491 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -0.5426 1.6046 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5964 -2.0532 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2072 -2.8194 1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8407 -4.0290 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7672 -4.2351 -0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8490 1.7110 -1.5788 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1385 5.0554 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2707 3.7664 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4219 2.8224 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5602 4.6907 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9544 5.1195 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9759 2.0975 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2277 0.7994 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4009 -2.2813 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4546 -2.9764 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3329 -1.3819 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4083 -1.6409 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -1.1023 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4536 -0.7728 -1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0439 0.0943 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4505 -3.1350 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9667 -2.1344 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3591 -4.7434 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -3.5385 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2327 -5.1308 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1495 0.9896 -2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers